6-methoxy-2-methyl-5-methylsulfonyl-7-nitro-1-propan-2-yl-benzimidazole

Systemtic Name: 6-methoxy-2-methyl-5-methylsulfonyl-7-nitro-1-propan-2-yl-benzimidazole Openeye Name: 1-isopropyl-6-methoxy-2-methyl-5-methylsulfonyl-7-nitro-benzimidazole CAS Name: 6-methoxy-2-methyl-5-methylsulfonyl-7-nitro-1-propan-2-ylbenzimidazole IUPAC Name: 6-methoxy-2-methyl-5-methylsulfonyl-7-nitro-1-propan-2-ylbenzimidazole Traditional Name: 1-isopropyl-5-mesyl-6-methoxy-2-methyl-7-nitro-benzimidazole Formula: C13H17N3O5S MolecularWeight: 327.35618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC(=C(C(=C2N1C(C)C)[N+](=O)[O-])OC)S(=O)(=O)C

Isomeric SMILES

CC1=NC2=CC(=C(C(=C2N1C(C)C)[N+](=O)[O-])OC)S(=O)(=O)C

InChI

InChI=1S/C13H17N3O5S/c1-7(2)15-8(3)14-9-6-10(22(5,19)20)13(21-4)12(11(9)15)16(17)18/h6-7H,1-5H3